[(1R)-2,2,2-trifluoro-1-phenylethyl] 2-chloroacetate

C10H8ClF3O2 — CID 14113255

IUPAC[(1R)-2,2,2-trifluoro-1-phenylethyl] 2-chloroacetate
SMILESO=C(CCl)O[C@H](c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H8ClF3O2/c11-6-8(15)16-9(10(12,13)14)7-4-2-1-3-5-7/h1-5,9H,6H2/t9-/m1/s1
InChIKeyJQRHQUNWTMEVOE-SECBINFHSA-N
MW252.62 g/mol
LogP3.07
Rot. Bonds3

About [(1R)-2,2,2-trifluoro-1-phenylethyl] 2-chloroacetate

[(1R)-2,2,2-trifluoro-1-phenylethyl] 2-chloroacetate (PubChem CID 14113255) has the molecular formula C10H8ClF3O2 and a molecular weight of 252.62 g/mol. Its IUPAC name is [(1R)-2,2,2-trifluoro-1-phenylethyl] 2-chloroacetate.

Molecular Properties

Compound Name[(1R)-2,2,2-trifluoro-1-phenylethyl] 2-chloroacetate
PubChem CID14113255
Molecular FormulaC10H8ClF3O2
Molecular Weight252.62 g/mol
Exact Mass252.02
IUPAC Name[(1R)-2,2,2-trifluoro-1-phenylethyl] 2-chloroacetate
SMILESO=C(CCl)O[C@H](c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H8ClF3O2/c11-6-8(15)16-9(10(12,13)14)7-4-2-1-3-5-7/h1-5,9H,6H2/t9-/m1/s1
InChIKeyJQRHQUNWTMEVOE-SECBINFHSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.62
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze [(1R)-2,2,2-trifluoro-1-phenylethyl] 2-chloroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,2,2-trifluoro-1-phenylethyl) hydrogen carbonate
CID 90981293
bis(2,2,2-trifluoro-1-phenylethyl) benzene-1,4-dicarboxylate
CID 91741868
[(1R)-1-phenylethyl] 2-chloroacetate
CID 14113253
2-(2,2,2-trifluoro-1-phenylethoxy)acetic acid
CID 2833951
(2,2,2-trichloro-1-phenylethyl) 3-hydroxypropanoate
CID 174826449
1-O-propyl 4-O-(2,2,2-trifluoro-1-phenylethyl) benzene-1,4-dicarboxylate
CID 91730810
2-(2,2,2-trifluoro-1-phenylethoxy)pentanoic acid
CID 57287807
[1-(4-bromophenyl)-2,2,2-trifluoroethyl] benzoate
CID 131870725
[(1R)-2,2,2-trifluoro-1-phenylethyl] hypoiodite
CID 90048095
(2,2,2-trifluoro-1-methoxyethyl)benzene
CID 15275027
6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2,2,2-trifluoro-1-phenylethoxy)carbonylhexanoic acid
CID 70031580
(1,3-dichloro-1-phenylpropan-2-yl) acetate
CID 23263604

Frequently Asked Questions

What is the IUPAC name of [(1R)-2,2,2-trifluoro-1-phenylethyl] 2-chloroacetate?
The IUPAC name of [(1R)-2,2,2-trifluoro-1-phenylethyl] 2-chloroacetate (CID 14113255) is [(1R)-2,2,2-trifluoro-1-phenylethyl] 2-chloroacetate.
What is the SMILES notation for [(1R)-2,2,2-trifluoro-1-phenylethyl] 2-chloroacetate?
The canonical SMILES for [(1R)-2,2,2-trifluoro-1-phenylethyl] 2-chloroacetate is O=C(CCl)O[C@H](c1ccccc1)C(F)(F)F.
What is the InChIKey of [(1R)-2,2,2-trifluoro-1-phenylethyl] 2-chloroacetate?
The InChIKey is JQRHQUNWTMEVOE-SECBINFHSA-N. The full InChI is InChI=1S/C10H8ClF3O2/c11-6-8(15)16-9(10(12,13)14)7-4-2-1-3-5-7/h1-5,9H,6H2/t9-/m1/s1.
What are the key properties of [(1R)-2,2,2-trifluoro-1-phenylethyl] 2-chloroacetate?
[(1R)-2,2,2-trifluoro-1-phenylethyl] 2-chloroacetate has a molecular weight of 252.62 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2,2,2-trifluoro-1-phenylethyl] 2-chloroacetate is sourced from PubChem (CID 14113255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).